Iclepertin
[5-methylsulfonyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[(1R,5R)-1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
Molecular Identity
Iclepertin
[5-methylsulfonyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[(1R,5R)-1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
PubChem CID: 155259577
2D Structure
Properties
C20H18F6N2O5S
Molecular Formula
512.40
Molecular Weight
g/mol
512.0841
Exact Mass
Da
3.5
XLogP
Drug-like (Lipinski: < 5)
98.1
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
12
H-Bond Acceptors
907
Complexity
SMILES
Canonical SMILES
SMILES: CC(C(F)(F)F)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CC3CC3(C2)C4=NOC(=C4)C(F)(F)FIsomeric SMILES
SMILES: C[C@H](C(F)(F)F)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2C[C@@H]3C[C@@]3(C2)C4=NOC(=C4)C(F)(F)FSynonyms(20)
Iclepertin1421936-85-7Iclepertin [INN]M43ZDU10DDBI-425809BI425809Methanone, (5-(methylsulfonyl)-2-((1R)-2,2,2-trifluoro-1-methylethoxy)phenyl)((1R,5R)-1-(5-(trifluoromethyl)-3-isoxazolyl)-3-azabicyclo(3.1.0)hex-3-yl)-Methanone, [5-(methylsulfonyl)-2-[(1R)-2,2,2-trifluoro-1-methylethoxy]phenyl][(1R,5R)-1-[5-(trifluoromethyl)-3-isoxazolyl]-3-azabicyclo[3.1.0]hex-3-yl]-RefChem:147657UNII-M43ZDU10DD(5-(Methylsulfonyl)-2-(((R)-1,1,1-trifluoropropan-2-yl)oxy)phenyl)((1R,5R)-1-(5-(trifluoromethyl)isoxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl)methanoneSCHEMBL22621289GLXC-25863[5-methylsulfonyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[(1R,5R)-1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]methanoneMS-29509
Data from PubChem (NCBI)
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